Basic information
- CAS
81262-76-2- Standard SMILES
Cc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(F)c2)CC1- InChIKey
UVDFMFZDCCTJLL-UHFFFAOYSA-N- Molecular formula
- C27H25FN4O2S
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.16822539
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(m-fluorophenyl)-2-((((4-(o-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-
- IUPAC
- 3-(3-fluorophenyl)-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
Names & synonyms
BRN 60244994(3H)-Quinazolinone, 3-(m-fluorophenyl)-2-((((4-(o-tolyl)-1-piperazinyl)carbonyl)methyl)thio)-81262-76-2DTXSID70231006RefChem:284137DTXCID301534973-(3-fluorophenyl)-2-({2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one
Database identifiers
- CAS
81262-76-2- PubChem CID
- 63289
- DTXSID
DTXSID70231006- Nikkaji
- J73.090D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 802
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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